4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide

C18H13N3O4 — CID 172515919

IUPAC4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide
SMILESCOc1cccc2c(Oc3ccc(C(=O)NO)cc3)c(C#N)cnc12
InChIInChI=1S/C18H13N3O4/c1-24-15-4-2-3-14-16(15)20-10-12(9-19)17(14)25-13-7-5-11(6-8-13)18(22)21-23/h2-8,10,23H,1H3,(H,21,22)
InChIKeyBFARMMHAUNKAMC-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.03
Rot. Bonds4

About 4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide

4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide (PubChem CID 172515919) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide
PubChem CID172515919
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide
SMILESCOc1cccc2c(Oc3ccc(C(=O)NO)cc3)c(C#N)cnc12
InChIInChI=1S/C18H13N3O4/c1-24-15-4-2-3-14-16(15)20-10-12(9-19)17(14)25-13-7-5-11(6-8-13)18(22)21-23/h2-8,10,23H,1H3,(H,21,22)
InChIKeyBFARMMHAUNKAMC-UHFFFAOYSA-N
XLogP3.03
TPSA104.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 123132875
4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
CID 69374001
6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane
CID 143892681
6-cyano-7-[4-[(8-methoxyquinolin-3-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 67287399
methyl 4-[2-cyano-3-(4-methoxycarbonylphenoxy)phenoxy]benzoate
CID 167528549
methyl 4-(2,3-dicyanophenoxy)benzoate
CID 902671
4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
CID 27371729
4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
CID 167702626
3-cyano-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-7-carboxylic acid
CID 21035019
4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
CID 60870090
6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
CID 142143779

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide?
The IUPAC name of 4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide (CID 172515919) is 4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide.
What is the SMILES notation for 4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide?
The canonical SMILES for 4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide is COc1cccc2c(Oc3ccc(C(=O)NO)cc3)c(C#N)cnc12.
What is the InChIKey of 4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide?
The InChIKey is BFARMMHAUNKAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c1-24-15-4-2-3-14-16(15)20-10-12(9-19)17(14)25-13-7-5-11(6-8-13)18(22)21-23/h2-8,10,23H,1H3,(H,21,22).
What are the key properties of 4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide?
4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide has a molecular weight of 335.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide is sourced from PubChem (CID 172515919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).